herboxidiene

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 12
PubChem 6438496
Molecular Formula

C25H42O6

SMILES

C[C@H]1CC[C@@H](O[C@@H]1/C(=C/C=C/[C@@H](C)C[C@@]2([C@H](O2)[C@H](C)[C@H]([C@@H](C)O)OC)C)/C)CC(=O)O

InChI

InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1

synonyms
  • Herboxidiene
  • 142861-00-5
  • QSB7EM5EUD
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Properties
Property Value
MW 438.6 g/mol
HBD 2
HBA 6
Rotatable Bond Count 11
Exact Mass 438.29813906 g/mol
Monoisotopic Mass 438.29813906 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 658
xlogp 4.1
Topological Polar Surface Area 88.5